2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol

C19H20N2O3 — CID 764777

IUPAC2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol
SMILESCCOc1ccc(-c2nn(C)c(C)c2Oc2ccccc2)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-4-23-15-10-11-16(17(22)12-15)18-19(13(2)21(3)20-18)24-14-8-6-5-7-9-14/h5-12,22H,4H2,1-3H3
InChIKeyZOYSWLCZYIXILS-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.29
Rot. Bonds5

About 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol

2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol (PubChem CID 764777) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol.

Molecular Properties

Compound Name2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol
PubChem CID764777
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol
SMILESCCOc1ccc(-c2nn(C)c(C)c2Oc2ccccc2)c(O)c1
InChIInChI=1S/C19H20N2O3/c1-4-23-15-10-11-16(17(22)12-15)18-19(13(2)21(3)20-18)24-14-8-6-5-7-9-14/h5-12,22H,4H2,1-3H3
InChIKeyZOYSWLCZYIXILS-UHFFFAOYSA-N
XLogP4.29
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol?
The IUPAC name of 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol (CID 764777) is 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol.
What is the SMILES notation for 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol?
The canonical SMILES for 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol is CCOc1ccc(-c2nn(C)c(C)c2Oc2ccccc2)c(O)c1.
What is the InChIKey of 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol?
The InChIKey is ZOYSWLCZYIXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-23-15-10-11-16(17(22)12-15)18-19(13(2)21(3)20-18)24-14-8-6-5-7-9-14/h5-12,22H,4H2,1-3H3.
What are the key properties of 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol?
2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol has a molecular weight of 324.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-5-ethoxyphenol is sourced from PubChem (CID 764777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).